Related papers: Lessons on electronic decoherence in molecules fro…
We describe the decoherence process induced on a two-level quantum system in direct interaction with a non-equilibrium environment. The non-equilibrium feature is represented by a non-stationary random function corresponding to the…
We present two methods for computing the dynamic structure factor for warm dense hydrogen without invoking either the Born-Oppenheimer approximation or the Chihara decomposition, by employing a wave-packet description that resolves the…
We investigate the performance of dynamical decoupling methods at suppressing electron spin decoherence from a low-temperature nuclear spin reservoir in a quantum dot. The controlled dynamics is studied through exact numerical simulation,…
Ultracold Rydberg atom arrays are an emerging platform for quantum simulation and computing. However, decoherence in these systems remains incompletely understood. Recent experiments [Guardado-Sanchez et al. Phys. Rev. X 8, 021069 (2018)]…
The exact solution of Schrodinger equation for atoms, molecules and extended systems continues to be a "Holy Grail" problem that the entire field has been striving to solve since its inception. Recently, breakthroughs have been made in the…
Classical simulation of quantum systems plays an important role in the study of many-body phenomena and in the benchmarking and verification of quantum technologies. Exact simulation is often limited to small systems because the dimension…
The complex-scaling method can be used to calculate molecular resonances within the Born-Oppenheimer approximation, assuming the electronic coordinates are dilated independently of the nuclear coordinates. With this method, one will…
The destruction of quantum-mechanical phase coherence by a fluctuating quantum bath has been investigated mostly for a single particle. However, for electronic transport through disordered samples and mesoscopic interference setups, we have…
Control of decoherence in open quantum systems has become a topic of great interest due to the emergence of quantum technologies that depend on quantum coherent effects. In this work, we investigate the decoherence dynamics of systems…
We study the dynamics of a quantum heavy particle undergoing a repulsive interaction with a light one. The main motivation is the detailed description of the loss of coherence induced on a quantum system (in our model, the heavy particle)…
We consider an exchange model of itinerant electrons in a Heisenberg ferromagnet and we assume that the ferromagnet is in a fully polarized state. Using the Holstein-Primakoff transformation we are able to obtain a boson-fermion Hamiltonian…
We propose an approximate mapping of a molecular Hamiltonian to a Hamiltonian of qubits, which allows for high accuracy quantum chemistry calculations of vertical excitation energies of some molecules. The mapping is based on separating of…
We present a quantum algorithm for simulating rovibrational Hamiltonians on fault-tolerant quantum computers. The method integrates exact curvilinear kinetic energy operators and general-form potential energy surfaces expressed in a hybrid…
Physical systems, characterized by an ensemble of interacting elementary constituents, can be represented and studied by different algebras of observables or operators. For example, a fully polarized electronic system can be investigated by…
The question of classicality is addressed in relation with the shape of the nuclear skeleton of molecular systems. As the most natural environment, the electrons of the molecule are considered as continuously monitoring agents for the…
Starting with the exact factorization of the molecular wavefunction, this paper presents the results from the numerical implementation in nonadiabatic molecular dynamics of the recently proposed bohmion method. Within the context of quantum…
We study quantum decoherence numerically in a system consisting of a relativistic quantum field theory coupled to a measuring device that is itself coupled to an environment. The measuring device and environment are treated as quantum,…
Recent advances in numerically exact quantum dynamics methods have brought the dream of accurately modeling the dynamics of chemically complex open systems within reach. Path-integral-based methods, hierarchical equations of motion (HEOM)…
A novel quantum dynamical method to simulate vibronic reaction dynamics in molecules at metal surfaces is proposed. The method is based on the hierarchical quantum master equation approach and uses a discrete variable representation of the…
We develop a computational method to learn a molecular Hamiltonian matrix from matrix-valued time series of the electron density. As we demonstrate for three small molecules, the resulting Hamiltonians can be used for electron density…